N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluoro-benzamide CAS Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluorobenzamide IUPAC Name: N-[4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluorobenzamide Traditional Name: N-[4-(4-chlorobenzyl)-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl]-2-fluoro-benzamide Formula: C25H22ClFN2O3 MolecularWeight: 452.905183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3F)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3F)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClFN2O3/c1-2-22-25(31)29(14-16-7-9-18(26)10-8-16)15-17-13-19(11-12-23(17)32-22)28-24(30)20-5-3-4-6-21(20)27/h3-13,22H,2,14-15H2,1H3,(H,28,30)